The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Id http://purl.obolibrary.org/obo/dinto_DB08423
http://purl.obolibrary.org/obo/dinto_DB08423
Preferred Name

[5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone
Synonyms
1-(4-fluorophenyl)-4-{[3-(piperidin-4-yloxy)phenyl]carbonyl}-1H-pyrazol-5-amine
C21H21FN4O2
Type http://www.w3.org/2002/07/owl#Class

All Properties

prefLabel
[5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone
label
[5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone
type
InChIKey
InChIKey=QKZZJXRGCHXIAI-UHFFFAOYSA-N
Synonym
1-(4-fluorophenyl)-4-{[3-(piperidin-4-yloxy)phenyl]carbonyl}-1H-pyrazol-5-amine
C21H21FN4O2
xref
PDB:PQA
PubChem Compound:5327066
PubChem Substance:99444894
ChemSpider:4484324
prefixIRI
obo2:dinto_DB08423
related with
SMILES
NC1=C(C=NN1C1=CC=C(F)C=C1)C(=O)C1=CC(OC2CCNCC2)=CC=C1
InChI
InChI=1S/C21H21FN4O2/c22-15-4-6-16(7-5-15)26-21(23)19(13-25-26)20(27)14-2-1-3-18(12-14)28-17-8-10-24-11-9-17/h1-7,12-13,17,24H,8-11,23H2
subClassOf
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